Information card for entry 7124706

Structure parameters

• Formula: C62 H59 F12 N11 O11 P2 Ru3
• Calculated formula: C62 H59 F12 N11 O11 P2 Ru3
• Title of publication: Characterization of a trinuclear ruthenium species in catalytic water oxidation by Ru(bda)(pic)2 in neutral media.
• Authors of publication: Zhang, Biaobiao; Li, Fei; Zhang, Rong; Ma, Chengbing; Chen, Lin; Sun, Licheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 55
• Pages of publication: 8619 - 8622
• a: 15.8008 ± 0.0007 Å
• b: 16.2412 ± 0.0011 Å
• c: 19.6284 ± 0.0011 Å
• α: 107.027 ± 0.004°
• β: 102.696 ± 0.003°
• γ: 109.127 ± 0.002°
• Cell volume: 4263.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No